Compound Detail
CHEMBL319544
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C)cc(C)c1/C=C/c1cccc(C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL319544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODSSNBPRHXSYQI-ZHACJKMWSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
508.4
MW (Da)
8.02
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | EC50 | 7.16 | 6.57 | 70.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | EC50 | = | 70.0 | nM | 7.16 | Ligand dependent recruitment of SRC1(676-700) peptide to human Farnesoid X-activ... | 10956205 |
| Bile acid receptor | EC50 | = | 70.0 | nM | 7.16 | Agonist activity at FXR (unknown origin) | 31930920 |
| Bile acid receptor | EC50 | = | 4100.0 | nM | 5.39 | Agonist activity at FXR (unknown origin) by cell based assay | 31930920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956205 | 10.1021/jm0002127 | Bile acid receptor | 2 |
| 31930920 | 10.1021/acs.jmedchem.9b01701 | Bile acid receptor | 2 |
Data from ChEMBL 36 via Core Engine